1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane

C12H23ClO — CID 112591275

IUPAC1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane
SMILESCC(C)(C)OCCC1CCCCC1Cl
InChIInChI=1S/C12H23ClO/c1-12(2,3)14-9-8-10-6-4-5-7-11(10)13/h10-11H,4-9H2,1-3H3
InChIKeyZEXIECZRUMNMGJ-UHFFFAOYSA-N
MW218.77 g/mol
LogP3.99
Rot. Bonds3

About 1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane

1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane (PubChem CID 112591275) has the molecular formula C12H23ClO and a molecular weight of 218.77 g/mol. Its IUPAC name is 1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane.

Molecular Properties

Compound Name1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane
PubChem CID112591275
Molecular FormulaC12H23ClO
Molecular Weight218.77 g/mol
Exact Mass218.14
IUPAC Name1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane
SMILESCC(C)(C)OCCC1CCCCC1Cl
InChIInChI=1S/C12H23ClO/c1-12(2,3)14-9-8-10-6-4-5-7-11(10)13/h10-11H,4-9H2,1-3H3
InChIKeyZEXIECZRUMNMGJ-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane
CID 112591267
N-[(2-chlorocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112591784
2-[(1R,2S)-2-chlorocyclohexyl]ethanamine
CID 97304641
2-(2-chlorocyclohexyl)ethanamine
CID 53423115
2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclopentan-1-ol
CID 112588831
2-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 10797616
1-chloro-2-(3-methylbutyl)cycloheptane
CID 63459310
4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
CID 112590509
3-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-ol
CID 114451772
2-(aminomethyl)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
CID 112590913
1-chloro-2-(3-methylsulfonylpropyl)cycloheptane
CID 63195635
1-chloro-2-(2-propan-2-ylsulfonylethyl)cyclohexane
CID 106729081

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane?
The IUPAC name of 1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane (CID 112591275) is 1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane.
What is the SMILES notation for 1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane?
The canonical SMILES for 1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane is CC(C)(C)OCCC1CCCCC1Cl.
What is the InChIKey of 1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane?
The InChIKey is ZEXIECZRUMNMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClO/c1-12(2,3)14-9-8-10-6-4-5-7-11(10)13/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane?
1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane has a molecular weight of 218.77 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane is sourced from PubChem (CID 112591275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).